- InChI
- InChI=1S/C19H26O4/c1-4-10-22-18(20)15-6-5-7-16(12-15)19(21)23-17-9-8-13(2)14(3)11-17/h5-7,12-14,17H,4,8-11H2,1-3H3
- InChI Key
- BAJQPUFFJKFPLI-UHFFFAOYSA-N
- Formula
- C19H26O4
- SMILES
-
CCCOC(=O)c1cccc(C(=O)OC2CCC(C)
C(C)C2)c1 - Molecular Weight1
- 318.41
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | -246.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -686.39 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.95 | kJ/mol | Joback Calculated Property |
| log10WS | -5.25 | Crippen Calculated Property | |
| logPoct/wat | 4.235 | Crippen Calculated Property | |
| McVol | 258.830 | ml/mol | McGowan Calculated Property |
| Pc | 1606.42 | kPa | Joback Calculated Property |
| Inp | [2466.00; 2466.00] |
|
|
| Inp | 2466.00 | NIST | |
| Inp | 2466.00 | NIST | |
| Tboil | 828.57 | K | Joback Calculated Property |
| Tc | 1049.29 | K | Joback Calculated Property |
| Tfus | 486.05 | K | Joback Calculated Property |
| Vc | 0.971 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [821.44; 905.38] | J/mol×K | [828.57; 1049.29] |
|
| Cp,gas | 821.44 | J/mol×K | 828.57 | Joback Calculated Property |
| Cp,gas | 839.31 | J/mol×K | 865.36 | Joback Calculated Property |
| Cp,gas | 855.60 | J/mol×K | 902.14 | Joback Calculated Property |
| Cp,gas | 870.34 | J/mol×K | 938.93 | Joback Calculated Property |
| Cp,gas | 883.55 | J/mol×K | 975.72 | Joback Calculated Property |
| Cp,gas | 895.22 | J/mol×K | 1012.50 | Joback Calculated Property |
| Cp,gas | 905.38 | J/mol×K | 1049.29 | Joback Calculated Property |
| η | [0.0001076; 0.0008622] | Pa×s | [486.05; 828.57] |
|
| η | 0.0008622 | Pa×s | 486.05 | Joback Calculated Property |
| η | 0.0005079 | Pa×s | 543.14 | Joback Calculated Property |
| η | 0.0003309 | Pa×s | 600.22 | Joback Calculated Property |
| η | 0.0002322 | Pa×s | 657.31 | Joback Calculated Property |
| η | 0.0001725 | Pa×s | 714.40 | Joback Calculated Property |
| η | 0.0001339 | Pa×s | 771.48 | Joback Calculated Property |
| η | 0.0001076 | Pa×s | 828.57 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 3,4-dimethylcyclohexyl propyl ester.
Sources
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